4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide

C13H10Br2ClNOS — CID 19205247

IUPAC4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(Br)c(Br)s2)c(Cl)c1
InChIInChI=1S/C13H10Br2ClNOS/c1-6-3-7(2)11(9(16)4-6)17-13(18)10-5-8(14)12(15)19-10/h3-5H,1-2H3,(H,17,18)
InChIKeyZEOKFRLTYJABFU-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.80
Rot. Bonds2

About 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 19205247) has the molecular formula C13H10Br2ClNOS and a molecular weight of 423.56 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
PubChem CID19205247
Molecular FormulaC13H10Br2ClNOS
Molecular Weight423.56 g/mol
Exact Mass420.85
IUPAC Name4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(Br)c(Br)s2)c(Cl)c1
InChIInChI=1S/C13H10Br2ClNOS/c1-6-3-7(2)11(9(16)4-6)17-13(18)10-5-8(14)12(15)19-10/h3-5H,1-2H3,(H,17,18)
InChIKeyZEOKFRLTYJABFU-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
CID 80536593
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
4,5-dibromo-N-(3-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 80536601
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
CID 19337651
5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79947502
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide (CID 19205247) is 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2cc(Br)c(Br)s2)c(Cl)c1.
What is the InChIKey of 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is ZEOKFRLTYJABFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNOS/c1-6-3-7(2)11(9(16)4-6)17-13(18)10-5-8(14)12(15)19-10/h3-5H,1-2H3,(H,17,18).
What are the key properties of 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19205247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).